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1-(4-Chlorophenyl)-2-fluoroethanone is a chemical compound with the molecular formula C8H7ClF. It belongs to the class of ketones and features a phenyl ring with a chlorine substituent and a fluorine atom attached to the ethanone group. 1-(4-Chlorophenyl)-2-fluoroethanone is commonly utilized in organic synthesis and medicinal chemistry as a building block for the creation of various pharmaceuticals, agrochemicals, and other fine chemicals. Due to its potential health hazards and reactivity, it is crucial to handle 1-(4-Chlorophenyl)-2-fluoroethanone with proper care and adhere to all safety protocols.

329-78-2

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329-78-2 Usage

Uses

Used in Pharmaceutical Industry:
1-(4-Chlorophenyl)-2-fluoroethanone is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of novel drug molecules with specific therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical sector, 1-(4-Chlorophenyl)-2-fluoroethanone is employed as a precursor in the production of agrochemicals, aiding in the creation of compounds that can enhance crop protection and management.
Used in Organic Synthesis:
1-(4-Chlorophenyl)-2-fluoroethanone is utilized as a versatile building block in organic synthesis for its capacity to form a wide range of chemical structures, contributing to the advancement of chemical research and the development of new compounds with diverse applications.
Used in Fine Chemicals Production:
1-(4-Chlorophenyl)-2-fluoroethanone is also used in the production of fine chemicals, where its unique structural features allow for the creation of specialty chemicals used in various industries, including fragrances, dyes, and other high-value applications.

Check Digit Verification of cas no

The CAS Registry Mumber 329-78-2 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 3,2 and 9 respectively; the second part has 2 digits, 7 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 329-78:
(5*3)+(4*2)+(3*9)+(2*7)+(1*8)=72
72 % 10 = 2
So 329-78-2 is a valid CAS Registry Number.

329-78-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(4-chlorophenyl)-2-fluoroethanone

1.2 Other means of identification

Product number -
Other names 4'-chloro-2-fluoroacetophenone

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:329-78-2 SDS

329-78-2Relevant academic research and scientific papers

A Carbene Strategy for Progressive (Deutero)Hydrodefluorination of Fluoroalkyl Ketones

Bi, Xihe,Sivaguru, Paramasivam,Song, Qingmin,Wang, Zikun,Zanoni, Giuseppe,Zhang, Xiaolong,Zhang, Xinyu

, (2021/12/23)

Hydrodefluorination is one of the most promising chemical strategies to degrade perfluorochemicals into partially fluorinated compounds. However, controlled progressive hydrodefluorination remains a significant challenge, owing to the decrease in the stre

Double Enzyme-Catalyzed One-Pot Synthesis of Enantiocomplementary Vicinal Fluoro Alcohols

Fan, Jiajie,Lin, Xianfu,Peng, Yongzhen,Wang, Anlin,Wu, Qi,Xu, Jian,Xu, Weihua,Yu, Huilei

supporting information, (2020/07/24)

A double-enzyme-catalyzed strategy for the synthesis of enantiocomplementary vicinal fluoro alcohols through a one-pot, three-step process including lipase-catalyzed hydrolysis, spontaneous decarboxylative fluorination, and subsequent ketoreductase-catalyzed reduction was developed. With this approach, β-ketonic esters were converted to the corresponding vicinal fluoro alcohols with high isolated yields (up to 92percent) and stereoselectivities (up to 99percent). This new cascade process addresses some issues in comparison with traditional methods such as environmentally hazardous reaction conditions and low stereoselectivity outcome.

Decarboxylative fluorination of β-Ketoacids with N-fluorobenzenesulfonimide (NFSI) for the synthesis of α-fluoroketones: Substrate scope and mechanistic investigation

Zhang, Rui,Ni, Chuanfa,He, Zhengbiao,Hu, Jinbo

, p. 166 - 172 (2017/09/18)

Cesium carbonate (Cs2CO3)-mediated decarboxylative fluorination of β-ketoacids using NFSI in the MeCN/H2O mixed solvent system affords α-fluoroketones with a broad scope. Both electron-rich and electron-deficient α-non-substituted β-ketoacids are amenable to this protocol. The mechanistic study indicates that the reaction proceeds through electrophilic fluorination followed by decarboxylation, which is different from the decarboxylative fluorination of normal carboxylic acids.

Α - fluoro acetophenone derivative

-

Paragraph 0029; 0032, (2018/08/28)

PROBLEM TO BE SOLVED: To provide a new production method of an α-fluoroacetophenone derivative by a simple one-step fluorination reaction with an acetophenone derivative under a mild condition.SOLUTION: An acetophenone derivative represented by formula (I) is reacted with a hydrogen fluoride/amine complex in the presence of a hypervalent iodine compound, (in the formula, a ring A indicates an aromatic ring of 1-3 members; Rindicates a hydrogen atom or an aromatic ring of 1-3 members that may be substituted; Rindicates a hydrogen atom or an alkyl group of 1-6 carbons; and Rindicates a hydrogen atom, an alkyl group of 1-6 carbons, an alkoxy group of 1-6 carbons or a halogen atom). The H part in formula (I) is substituted and fluorinated.

Synthesis of α-Fluoroketones from Vinyl Azides and Mechanism Interrogation

Wu, Shu-Wei,Liu, Feng

supporting information, p. 3642 - 3645 (2016/08/16)

An efficient and mild fluorination of vinyl azides for the synthesis of α-fluoroketones is described. The mechanistic studies indicated that a single-electron transfer (SET) and a subsequent fluorine atom transfer process could be involved in the reaction.

Fluorination of α-bromomethyl aryl ketones with fluorohydrogenate-based ionic liquids

Singh, Rajendra P.,Martin, Jerry L.

, p. 7 - 10 (2015/11/25)

Fluorination of α-bromomethyl aryl ketones using fluorohydrogenate-based ionic liquids as fluorinating reagent is described. Reaction of various α-bromomethyl aryl ketones (1a-g) with fluorohydrogenate-based ionic liquids such as EMIMF·(HF)2.3, PYR13F·(HF)2.3 or PYR14F·(HF)2.3 as a fluoride ion source in anhydrous THF led to the formation of the corresponding α-fluoromethyl aryl ketones (2a-g) in very good yield. Compared to alternative fluorinating agents for this reaction, fluorohydrogenate-based ionic liquids are safer to handle and have the potential to be less expensive and more selective.

Catalytic Promiscuity of Transaminases: Preparation of Enantioenriched β-Fluoroamines by Formal Tandem Hydrodefluorination/Deamination

Cuetos, Aníbal,García-Ramos, Marina,Fischereder, Eva-Maria,Díaz-Rodríguez, Alba,Grogan, Gideon,Gotor, Vicente,Kroutil, Wolfgang,Lavandera, Iván

supporting information, p. 3144 - 3147 (2016/03/12)

Transaminases are valuable enzymes for industrial biocatalysis and enable the preparation of optically pure amines. For these transformations they require either an amine donor (amination of ketones) or an amine acceptor (deamination of racemic amines). Herein transaminases are shown to react with aromatic β-fluoroamines, thus leading to simultaneous enantioselective dehalogenation and deamination to form the corresponding acetophenone derivatives in the absence of an amine acceptor. A series of racemic β-fluoroamines was resolved in a kinetic resolution by tandem hydrodefluorination/deamination, thus giving the corresponding amines with up to greater than 99 % ee. This protocol is the first example of exploiting the catalytic promiscuity of transaminases as a tool for novel transformations.

One-Pot Synthesis of α-Fluoroketones and 3-Fluoro-2,4-diaryl-furans from Trifluoromethyl β-Diketones via Decarboxylation

Shao, Tongle,Fang, Xiang,Yang, Xueyan

supporting information, p. 1835 - 1840 (2015/08/06)

A facile and mild one-pot protocol via decarboxylation of trifluoromethyl β-diketones has been developed for the construction of α-fluoroketones and 3-fluoro-2,4-diarylfurans which are important units in many biologically active compounds and useful precursors in a variety of functional-group transformations.

Metal-free, efficient oxyfluorination of olefins for the synthesis of α-fluoroketones

Yang, Qiang,Mao, Liu-Liang,Yang, Bin,Yang, Shang-Dong

supporting information, p. 3460 - 3463 (2014/07/21)

A novel oxyfluorination of olefin reactions has been developed. The reactions involve a metal-free and green catalytic system for the synthesis of α-fluoroketones which is an important building block for organic synthesis. Moreover, this reaction system exhibits great functional group tolerance.

Hypervalent iodine-promoted α-fluorination of acetophenone derivatives with a triethylamine·hf complex

Kitamura, Tsugio,Muta, Kensuke,Muta, Kazutaka

, p. 5842 - 5846 (2014/07/08)

The direct fluorination reaction of acetophenone using iodosylarenes and TEA·5HF was conducted under mild conditions except for use of a HF reagent. The fluorination reaction was applied to acetophenone derivatives, acetonaphthones, benzyl phenyl ketone, propiophenone, butyrophenone, 1-indanone, and phenacyl chloride, giving selectively the corresponding α-fluoroketone derivatives in good yields.

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